2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane

C11H14FN3O — CID 90411982

IUPAC2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1cnc(OCC2CC3CCC2N3)nc1
InChIInChI=1S/C11H14FN3O/c12-8-4-13-11(14-5-8)16-6-7-3-9-1-2-10(7)15-9/h4-5,7,9-10,15H,1-3,6H2
InChIKeyUBHOFXWCEJFJMR-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.13
Rot. Bonds3

About 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane

2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 90411982) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane
PubChem CID90411982
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1cnc(OCC2CC3CCC2N3)nc1
InChIInChI=1S/C11H14FN3O/c12-8-4-13-11(14-5-8)16-6-7-3-9-1-2-10(7)15-9/h4-5,7,9-10,15H,1-3,6H2
InChIKeyUBHOFXWCEJFJMR-UHFFFAOYSA-N
XLogP1.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 171359701
(+/-)-2-(((4-(Trifluoromethyl)pyrimidin-2-yl)oxy)methyl)-7-azabicyclo[2.2.1]heptane hydrochloride
CID 90411835
2-[[4-(Trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptane
CID 90411836
(+/-)-Tert-butyl 2-(((5-fluoropyrimidin-2-yl)oxy)methyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 90412916
[3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 135244643
[(3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 144111285
5-Fluoro-2-[(pyrrolidin-3-yl)methoxy]pyrimidine
CID 71643595
5-Fluoro-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 71643597
5-Fluoro-2-(2-piperidin-3-ylethoxy)pyrimidine
CID 71643599
5-Fluoro-2-(3-piperidin-3-ylpropoxy)pyrimidine
CID 71643605
5-Fluoro-2-(3-piperidin-4-ylpropoxy)pyrimidine
CID 71643607
5-fluoro-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 97165129

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane (CID 90411982) is 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane is Fc1cnc(OCC2CC3CCC2N3)nc1.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is UBHOFXWCEJFJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-8-4-13-11(14-5-8)16-6-7-3-9-1-2-10(7)15-9/h4-5,7,9-10,15H,1-3,6H2.
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane?
2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 223.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 90411982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).